N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine

C15H23N3O — CID 112638038

IUPACN-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-10(2)19-14-7-8-16-15(18-14)17-9-13(11-3-4-11)12-5-6-12/h7-8,10-13H,3-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKYTKMDJNZPTQLX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds7

About N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine

N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112638038) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112638038
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC(C2CC2)C2CC2)n1
InChIInChI=1S/C15H23N3O/c1-10(2)19-14-7-8-16-15(18-14)17-9-13(11-3-4-11)12-5-6-12/h7-8,10-13H,3-6,9H2,1-2H3,(H,16,17,18)
InChIKeyKYTKMDJNZPTQLX-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 114138482
N-(2-chloro-4,4-dimethylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 107156071
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730
N-[2-(4-methylcyclohexyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975097
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine (CID 112638038) is N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC(C2CC2)C2CC2)n1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is KYTKMDJNZPTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)19-14-7-8-16-15(18-14)17-9-13(11-3-4-11)12-5-6-12/h7-8,10-13H,3-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine?
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112638038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).